5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate

C21H34N2O2 — CID 10882540

IUPAC5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCCCCN1CCCCC1
InChIInChI=1S/C21H34N2O2/c24-21(22-15-7-6-14-20-12-4-1-5-13-20)25-19-11-3-10-18-23-16-8-2-9-17-23/h1,4-5,12-13H,2-3,6-11,14-19H2,(H,22,24)
InChIKeyPADFWXYGTIWZKK-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.39
Rot. Bonds11

About 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate

5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate (PubChem CID 10882540) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Name5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
PubChem CID10882540
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCCCCN1CCCCC1
InChIInChI=1S/C21H34N2O2/c24-21(22-15-7-6-14-20-12-4-1-5-13-20)25-19-11-3-10-18-23-16-8-2-9-17-23/h1,4-5,12-13H,2-3,6-11,14-19H2,(H,22,24)
InChIKeyPADFWXYGTIWZKK-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
decyl N-(4-phenylbutyl)carbamate
CID 101211373
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
butyl N-(5-phenylpentyl)carbamate
CID 69404409
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate?
The IUPAC name of 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate (CID 10882540) is 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate.
What is the SMILES notation for 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate?
The canonical SMILES for 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate is O=C(NCCCCc1ccccc1)OCCCCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate?
The InChIKey is PADFWXYGTIWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c24-21(22-15-7-6-14-20-12-4-1-5-13-20)25-19-11-3-10-18-23-16-8-2-9-17-23/h1,4-5,12-13H,2-3,6-11,14-19H2,(H,22,24).
What are the key properties of 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate?
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate has a molecular weight of 346.51 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 10882540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).